5-Amino-2-chloro-4-fluorobenzonitrile CAS 123614-87-9
| CAS No. | 123614-87-9 |
| Molecular Formula | C7H4ClFN2 |
| Molecular Weight | 170.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Amino-2-chloro-4-fluorobenzonitrile (CAS 123614-87-9), molecular formula C7H4ClFN2 and molecular weight 170.57 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Amino-2-chloro-4-fluorobenzonitrile (C7H4ClFN2) contains a nitrile group, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 170.57 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C7H4ClFN2 |
| Molecular Weight | 170.57 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Amino Standards
- 6-Amino-3-chloro-2-fluorobenzonitrile (CAS 1000577-64-9)
- 2-Amino-4-chloro-5-fluorobenzonitrile (CAS 1015427-16-3)
- 4-Amino-2-chloro-6-fluorobenzonitrile (CAS 1095188-13-8)
- 4-Amino-3-chloro-5-fluorobenzonitrile (CAS 1147558-43-7)
- 2-Amino-5-chloro-4-fluorobenzonitrile (CAS 1217304-30-7)
- 4-Amino-2-chloro-5-fluorobenzonitrile (CAS 1228376-68-8)
- 2-amino-3-chloro-5-fluorobenzonitrile (CAS 1263277-06-0)
- 4-Amino-5-chloro-2-fluorobenzonitrile (CAS 1443253-03-9)
Recommended Standards
- 2-Chloro-7-Fluoroimidazo[1,2-a]pyridine (CAS 1260826-05-8)
- 2-(2-Chloro-5-fluoropyridin-3-yl)acetonitrile (CAS 1227606-64-5)
- 2-(Chloromethyl)-6-fluoroisonicotinonitrile (CAS 1260897-80-0)
- 2-(6-Chloro-2-fluoropyridin-3-yl)acetonitrile (CAS 1227598-89-1)
- 2-Aminobut-2-enoic acid (CAS 20748-08-7)
- 5-(2-Carboxythiophene-4-yl)-3-chlorophenol (CAS 1262003-03-1)
- 2-(4-Fluorophenyl)-1-methyl-1H-indole (CAS 145133-64-8)
- 2-(3-Chlorophenoxy)-5-fluoroaniline (CAS 946716-93-4)
- 4,6-Dichloro-3-nitroquinoline (CAS 39487-85-9)
- Glutathione Impurity 6 (CAS 97908-43-5)
- tert-Butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate (CAS 1345697-13-3)
- (4-Aminophenyl)methanesulfonic acid (CAS 6387-28-6)
- STING agonist-1 (CAS 702662-50-8)
- Semaglutide impurity 88 (CAS CATO-C4X-222688)
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